Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I-(H2O)6 cluster

Chemical Physics Letters

Volumn 431, Issue 1-3, 2006, Pages 28-33

  Takayanagi, Toshiyuki ^a   Takahashi, Kenta ^a  

^a SAITAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; GROUND STATE; KINETIC ENERGY; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

CHARGE TRANSFER TO SOLVENT (CTTS); ELECTRON STABILIZATION; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL ENERGY SURFACE;

IODINE COMPOUNDS;

EID: 33750391168     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.09.051     Document Type: Article

References (21)

1. Serxner D., Dessent C.E.H., and Johnson M.A. J. Chem. Phys. 105 (1996) 7231
2. Lehr L., Zanni M.T., Frischkorn C., Weinkauf R., and Neumark D.M. Science 284 (1999) 635
3. Davis A.V., Zanni M.T., Weinkauf R., and Neumark D.M. Chem. Phys. Lett. 353 (2002) 455
4. Kammrath A., Verlet J.R.R., Bragg A.E., Griffin G.B., and Neumark D.M. J. Phys. Chem. A 109 (2005) 11475
5. Verlet J.R.R., Kammrath A., Griffin G., and Neumark D.M. J. Chem. Phys. 123 (2005) 231102
6. Szpunar D.E., Kautzman K.E., Faulhaber A.E., and Neumark D.M. J. Chem. Phys. 124 (2006) 054318
7. Chen H.-Y., and Sheu W.-S. Chem. Phys. Lett. 335 (2001) 475
8. Chen H.-Y., and Sheu W.-S. Chem. Phys. Lett. 353 (2002) 459
9. Lee H.M., Suh S.B., and Kim K.S. J. Chem. Phys. 119 (2003) 7685
10. Timerghazin Q.K., and Peslherbe G.H. J. Am. Chem. Soc. 125 (2003) 9904
11. Kołaski M., Lee H.M., Pak C., Dupuis M., and Kim K.S. J. Phys. Chem. A 109 (2005) 9419
12. Becke A.D. J. Chem. Phys. 98 (1993) 5648
13. Takayanagi T. J. Phys. Chem. A110 (2006) 7011
14. Frisch M.J., et al. Gaussian 03, Revision B.04 (2003), Gaussian Inc., Pittsburgh, PA
15. Bergner A., Dolg M., Kuechle W., Stoll H., and Preuss H. Mol. Phys. 80 (1993) 1431
16. Herbert J.M., and Head-Gordon M. J. Phys. Chem. A 109 (2005) 5217
17. Herbert J.M., and Head-Gordon M. Phys. Chem. Chem. Phys. 8 (2006) 68
18. Lee H.M., and Kim K.S. J. Chem. Phys. 114 (2001) 4461
19. Villa F.D., and Jordan K.D. J. Phys. Chem. A 106 (2002) 1391
20. Glukhovtsev M.N., Pross A., McGrath M.P., and Radom L.J. J. Chem. Phys. 103 (1995) 1878
21. Kowal M., Gora R.W., Roszak S., and Leszczynski J. J. Chem. Phys. 115 (2001) 9260